Glycoside
GD155190
Name:
2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)oxane-3,4,5-triolFormula:
C32H40O14Smiles:
COc1cc(CCCOC2OC(COC3CC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc2cc(-c3ccc4c(c3)OCO4)oc12Aglycone:
COC1CC(CO)C(O)C(O)C1O.COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 648.66 | Num_heavy_atoms: | 46 |
| TPSA: | 210.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00502
Formula: C19H18O5
Smiles:
COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.35 | Num_heavy_atoms: | 24 |
| TPSA: | 61.06 | NumAromaticRings: | 3 |
AD47730
Formula: C8H16O5
Smiles:
COC1CC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.21 | Num_heavy_atoms: | 13 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
